1-trimethylsilylnon-2-yn-4-ol

C12H24OSi — CID 86087833

IUPAC1-trimethylsilylnon-2-yn-4-ol
SMILESCCCCCC(O)C#CC[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-5-6-7-9-12(13)10-8-11-14(2,3)4/h12-13H,5-7,9,11H2,1-4H3
InChIKeyJAJOQRAFKSFTKR-UHFFFAOYSA-N
MW212.41 g/mol
LogP3.27
Rot. Bonds5

About 1-trimethylsilylnon-2-yn-4-ol

1-trimethylsilylnon-2-yn-4-ol (PubChem CID 86087833) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 1-trimethylsilylnon-2-yn-4-ol.

Molecular Properties

Compound Name1-trimethylsilylnon-2-yn-4-ol
PubChem CID86087833
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name1-trimethylsilylnon-2-yn-4-ol
SMILESCCCCCC(O)C#CC[Si](C)(C)C
InChIInChI=1S/C12H24OSi/c1-5-6-7-9-12(13)10-8-11-14(2,3)4/h12-13H,5-7,9,11H2,1-4H3
InChIKeyJAJOQRAFKSFTKR-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(5R)-1-tri(propan-2-yl)silyltetradeca-1,3-diyn-5-ol
CID 164610642
6-(Trimethylsilyl)hex-5-yn-1-ol
CID 10877568
(3S)-1-trimethylsilyloct-1-yn-3-ol
CID 12447768
3-Fluoro-1-tri(propan-2-yl)silyldec-1-yn-4-ol
CID 10806206
1-Tri(propan-2-yl)silyldodec-1-yn-4-ol
CID 12120914
7-Trimethylsilylhept-6-yne-1,5-diol
CID 23240932
6-Trimethylsilylhex-5-yn-3-ol
CID 10821058
1-Decyn-3-ol, 1-(trimethylsilyl)-
CID 10955284
7-(Trimethylsilyl)hept-6-yn-1-ol
CID 11183041
8-Trimethylsilylocta-5,7-diyn-1-ol
CID 11298503
(S)-1-(trimethylsilyl)hept-1-yn-3-ol
CID 12623485
1-Trimethylsilylnon-1-yn-3-ol
CID 15695620

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylnon-2-yn-4-ol?
The IUPAC name of 1-trimethylsilylnon-2-yn-4-ol (CID 86087833) is 1-trimethylsilylnon-2-yn-4-ol.
What is the SMILES notation for 1-trimethylsilylnon-2-yn-4-ol?
The canonical SMILES for 1-trimethylsilylnon-2-yn-4-ol is CCCCCC(O)C#CC[Si](C)(C)C.
What is the InChIKey of 1-trimethylsilylnon-2-yn-4-ol?
The InChIKey is JAJOQRAFKSFTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-5-6-7-9-12(13)10-8-11-14(2,3)4/h12-13H,5-7,9,11H2,1-4H3.
What are the key properties of 1-trimethylsilylnon-2-yn-4-ol?
1-trimethylsilylnon-2-yn-4-ol has a molecular weight of 212.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylnon-2-yn-4-ol is sourced from PubChem (CID 86087833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).